Geometry & MOs

Info

ID:

215324

PubChem CID:

85084547

Reduced:

N7O8C44H57 (1)

Stoich.:

A7B8C44D57 (1)

Weight, g/mol:

811.440781

ΔHf, kcal/mol:

-350.17

Dipole, Da:

6.75

IP(EA), eV:

 -8.7(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,9,15-tribenzyl-6,12-di(butan-2-yl)-4,10,16-trimethyl-18-propan-2-yl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CCNC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=O)NC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations